1.0 2010-04-08 22:13:53 UTC 2025-11-19 02:13:50 UTC FDB018719 1,2,4,6-Tetragalloyl-beta-D-glucopyranose Isolated from Bergenia crassifolia (Siberian tea) and Bergenia cordifolia. 1,2,4,6-Tetragalloyl-beta-D-glucopyranose is found in tea and pomegranate. 1,2,4,6-Tetra-O-galloyl-beta-D-glucose C34H28O22 788.5729 788.10722258 4-hydroxy-5,6-bis(3,4,5-trihydroxybenzoyloxy)-2-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-3-yl 3,4,5-trihydroxybenzoate 4-hydroxy-5,6-bis(3,4,5-trihydroxybenzoyloxy)-2-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-3-yl 3,4,5-trihydroxybenzoate 84297-49-4 OC1C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C1=CC(O)=C(O)C(O)=C1 InChI=1S/C34H28O22/c35-14-1-10(2-15(36)23(14)43)30(48)52-9-22-28(54-31(49)11-3-16(37)24(44)17(38)4-11)27(47)29(55-32(50)12-5-18(39)25(45)19(40)6-12)34(53-22)56-33(51)13-7-20(41)26(46)21(42)8-13/h1-8,22,27-29,34-47H,9H2 YXZYFHXWEOAXLF-UHFFFAOYSA-N belongs to the class of organic compounds known as tannins. These are naturally occurring polyphenols which be categorized into four main classes: hydrolyzable tannin (based on ellagic acid or gallic acid), condensed tannins (made of oligomeric or polymeric proanthocyanidins), complex tannins (made of a catechin bound to a gallotannin or elagitannin), and phlorotannins (oligomers of phloroglucinol). Tannins Organic compounds Phenylpropanoids and polyketides Tannins Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetals Benzoyl derivatives Carboxylic acid esters Galloyl esters Hydrocarbon derivatives Monosaccharides Organic oxides Oxacyclic compounds Oxanes Polyols Pyrogallols and derivatives Secondary alcohols Tetracarboxylic acids and derivatives m-Hydroxybenzoic acid esters p-Hydroxybenzoic acid alkyl esters 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetal Alcohol Aromatic heteromonocyclic compound Benzenetriol Benzenoid Benzoate ester Benzoic acid or derivatives Benzoyl Carboxylic acid derivative Carboxylic acid ester Gallic acid or derivatives Galloyl ester Hydrocarbon derivative M-hydroxybenzoic acid ester Monocyclic benzene moiety Monosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane P-hydroxybenzoic acid alkyl ester P-hydroxybenzoic acid ester Phenol Polyol Pyrogallol derivative Secondary alcohol Tannin Tetracarboxylic acid or derivatives logp 2.86 ALOGPS logs -3.01 ALOGPS solubility 7.62e-01 g/l ALOGPS melting_point Mp 250° logp 3.41 ChemAxon pka_strongest_acidic 7.52 ChemAxon pka_strongest_basic -5.5 ChemAxon iupac 4-hydroxy-5,6-bis(3,4,5-trihydroxybenzoyloxy)-2-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-3-yl 3,4,5-trihydroxybenzoate ChemAxon average_mass 788.5729 ChemAxon mono_mass 788.10722258 ChemAxon smiles OC1C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C1=CC(O)=C(O)C(O)=C1 ChemAxon formula C34H28O22 ChemAxon inchi InChI=1S/C34H28O22/c35-14-1-10(2-15(36)23(14)43)30(48)52-9-22-28(54-31(49)11-3-16(37)24(44)17(38)4-11)27(47)29(55-32(50)12-5-18(39)25(45)19(40)6-12)34(53-22)56-33(51)13-7-20(41)26(46)21(42)8-13/h1-8,22,27-29,34-47H,9H2 ChemAxon inchikey YXZYFHXWEOAXLF-UHFFFAOYSA-N ChemAxon polar_surface_area 377.42 ChemAxon refractivity 178.98 ChemAxon polarizability 73.26 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 18 ChemAxon donor_count 13 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 58635 Specdb::CMs 786664 Specdb::CMs 786665 Specdb::CMs 786666 Specdb::CMs 786667 Specdb::CMs 786668 Specdb::CMs 786669 Specdb::CMs 786670 Specdb::CMs 786671 Specdb::CMs 786672 Specdb::MsMs 59781 Specdb::MsMs 59782 Specdb::MsMs 59783 Specdb::MsMs 115989 Specdb::MsMs 115990 Specdb::MsMs 115991 Specdb::MsMs 2386331 Specdb::MsMs 2386332 Specdb::MsMs 2386333 Specdb::MsMs 2578863 Specdb::MsMs 2578864 Specdb::MsMs 2578865 HMDB39191 #<Reference:0x000055ce30229620> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Pomegranate Type 1 specific Punica granatum 22663 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442 Beta-adrenergic receptor blocker 727 Any agent that acts on an adrenergic receptor or affects the life cycle of an adrenergic transmitter.